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BDBM299423 N-[3-(4-amino- quinazolin-6-yl) phenyl]-2- pyrrolidin-1-yl- acetamide::US9592235, Example 216::US9855269, Compound 63

SMILES: Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)CN2CCCC2)c1

InChI Key: InChIKey=RQVUVEKKIZVJGT-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 299423   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM299423
PNG
(N-[3-(4-amino- quinazolin-6-yl) phenyl]-2- pyrroli...)
Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)CN2CCCC2)c1
Show InChI InChI=1S/C20H21N5O/c21-20-17-11-15(6-7-18(17)22-13-23-20)14-4-3-5-16(10-14)24-19(26)12-25-8-1-2-9-25/h3-7,10-11,13H,1-2,8-9,12H2,(H,24,26)(H2,21,22,23)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 216n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
The kinase activity of purified human MAP4K4 kinase domain was measured by monitoring the phosphorylation of a peptide substrate derived from moesin ...


J Med Chem 46: 3709-27 (2003)


BindingDB Entry DOI: 10.7270/Q2VH5R4B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM299423
PNG
(N-[3-(4-amino- quinazolin-6-yl) phenyl]-2- pyrroli...)
Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)CN2CCCC2)c1
Show InChI InChI=1S/C20H21N5O/c21-20-17-11-15(6-7-18(17)22-13-23-20)14-4-3-5-16(10-14)24-19(26)12-25-8-1-2-9-25/h3-7,10-11,13H,1-2,8-9,12H2,(H,24,26)(H2,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 216n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The kinase activity of purified human MAP4K4 kinase domain was measured by monitoring the phosphorylation of a peptide substrate derived from moesin ...


US Patent US9592235 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JKX
More data for this
Ligand-Target Pair